10967/234 - QDB Compounds

QsarDB Repository

Garcia-Sosa, A. T.; Maran, U. Using combined docking, chemical fingerprints, and Bayesian classifiers for the androgen receptor binding activity of the CoMPARA data. Toxicological Sciences 2020.

Compound

ID:99-65-0
Name:1,3-Dinitrobenzene
Description:
Labels:training
CAS:99-65-0
InChi Code:InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.038675263

Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class)